| Properties | Image |
|---|
| MNX_ID | MNXM162024 |
 |
| reference | keggC:C20874 |
| formula | C94H156N8O27P2 |
| global charge | 0 |
| mol weight | 1892.259 |
| InChIKey | DPPOWHOOYVYOEW-VEGMMDESSA-N |
| InChI | InChI=1S/C94H156N8O27P2/c1-59(2)30-20-31-60(3)32-21-33-61(4)34-22-35-62(5)36-23-37-63(6)38-24-39-64(7)40-25-41-65(8)42-26-43-66(9)44-27-45-67(10)46-28-47-68(11)48-29-49-69(12)53-55-123-130(119,120)129-131(121,122)128-94-82(99-74(17)107)86(85(79(58-105)126-94)127-93-81(98-73(16)106)84(110)83(109)78(57-104)125-93)124-72(15)89(113)96-70(13)87(111)101-76(91(115)116)51-52-80(108)100-75(50-18-19-54-95)90(114)97-71(14)88(112)102-77(56-103)92(117)118/h30,32,34,36,38,40,42,44,46,48,53,70-72,75-79,81-86,93-94,103-105,109-110H,18-29,31,33,35,37,39,41,43,45,47,49-52,54-58,95H2,1-17H3,(H,96,113)(H,97,114)(H,98,106)(H,99,107)(H,100,108)(H,101,111)(H,102,112)(H,115,116)(H,117,118)(H,119,120)(H,121,122)/b60-32+,61-34+,62-36-,63-38-,64-40-,65-42-,66-44-,67-46-,68-48-,69-53-/t70-,71+,72+,75-,76+,77+,78+,79+,81+,82+,83+,84+,85+,86+,93-,94+/m0/s1 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)O)C(=O)O)[C@@H](NC(C)=O)[C@@H](OP(=O)(O)OP(=O)(O)OC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C94H156N8O27P2/c1-59(2)30-20-31-60(3)32-21-33-61(4)34-22-35-62(5)36-23-37-63(6)38-24-39-64(7)40-25-41-65(8)42-26-43-66(9)44-27-45-67(10)46-28-47-68(11)48-29-49-69(12)53-55-123-130(119,120)129-131(121,122)128-94-82(99-74(17)107)86(85(79(58-105)126-94)127-93-81(98-73(16)106)84(110)83(109)78(57-104)125-93)124-72(15)89(113)96-70(13)87(111)101-76(91(115)116)51-52-80(108)100-75(50-18-19-54-95)90(114)97-71(14)88(112)102-77(56-103)92(117)118/h30,32,34,36,38,40,42,44,46,48,53,70-72,75-79,81-86,93-94,103-105,109-110H,18-29,31,33,35,37,39,41,43,45,47,49-52,54-58,95H2,1-17H3,(H,96,113)(H,97,114)(H,98,106)(H,99,107)(H,100,108)(H,101,111)(H,102,112)(H,115,116)(H,117,118)(H,119,120)(H,121,122)/b60-32+,61-34+,62-36-,63-38-,64-40-,65-42-,66-44-,67-46-,68-48-,69-53-/t70-,71+,72+,75-,76+,77+,78+,79+,81+,82+,83+,84+,85+,86+,93-,94+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:59]([CH3:2])=[CH:30][CH2:20][CH2:31]/[C:60]([CH3:3])=[CH:32]/[CH2:21][CH2:33]/[C:61]([CH3:4])=[CH:34]/[CH2:22][CH2:35]/[C:62]([CH3:5])=[CH:36]\[CH2:23][CH2:37]/[C:63]([CH3:6])=[CH:38]\[CH2:24][CH2:39]/[C:64]([CH3:7])=[CH:40]\[CH2:25][CH2:41]/[C:65]([CH3:8])=[CH:42]\[CH2:26][CH2:43]/[C:66]([CH3:9])=[CH:44]\[CH2:27][CH2:45]/[C:67]([CH3:10])=[CH:46]\[CH2:28][CH2:47]/[C:68]([CH3:11])=[CH:48]\[CH2:29][CH2:49]/[C:69]([CH3:12])=[CH:53]\[CH2:55][O:123][P:130]([OH:119])(=[O:120])[O:129][P:131]([OH:121])(=[O:122])[O:128][C@@H:94]1[C@H:82]([N:99]=[C:74]([CH3:17])[OH:107])[C@@H:86]([O:124][C@H:72]([CH3:15])[C:89](=[N:96][C@@H:70]([CH3:13])[C:87](=[N:101][C@H:76]([CH2:51][CH2:52][C:80](=[N:100][C@@H:75]([CH2:50][CH2:18][CH2:19][CH2:54][NH2:95])[C:90](=[N:97][C@H:71]([CH3:14])[C:88](=[N:102][C@H:77]([CH2:56][OH:103])[C:92](=[O:117])[OH:118])[OH:112])[OH:114])[OH:108])[C:91](=[O:115])[OH:116])[OH:111])[OH:113])[C@H:85]([O:127][C@H:93]2[C@H:81]([N:98]=[C:73]([CH3:16])[OH:106])[C@@H:84]([OH:110])[C@H:83]([OH:109])[C@@H:78]([CH2:57][OH:104])[O:125]2)[C@@H:79]([CH2:58][OH:105])[O:126]1 |
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